ChemSpider 2D Image | 6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2-quinolinol | C29H31N7O3

6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2-quinolinol

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID62575766

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Quinolinone, 6-ethyl-3-[(R)-[(2-furanylmethyl)(3-pyridinylmethyl)amino][1-[[(2S)-tetrahydro-2-furanyl]methyl]-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
2-Quinolinol, 6-ethyl-3-[(R)-[(2-furanylmethyl)(3-pyridinylmethyl)amino][1-[[(2S)-tetrahydro-2-furanyl]methyl]-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Éthyl-3-[(R)-[(2-furylméthyl)(3-pyridinylméthyl)amino]{1-[(2S)-tétrahydro-2-furanylméthyl]-1H-tétrazol-5-yl}méthyl]-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2(1H)-quinolinone [ACD/IUPAC Name]
6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2-chinolinol [German] [ACD/IUPAC Name]
6-Éthyl-3-[(R)-[(2-furylméthyl)(3-pyridinylméthyl)amino]{1-[(2S)-tétrahydro-2-furanylméthyl]-1H-tétrazol-5-yl}méthyl]-2-quinoléinol [French] [ACD/IUPAC Name]
6-Ethyl-3-[(R)-[(2-furylmethyl)(3-pyridinylmethyl)amino]{1-[(2S)-tetrahydro-2-furanylmethyl]-1H-tetrazol-5-yl}methyl]-2-quinolinol [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 773.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 421.7±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 156.85
ACD/KOC (pH 5.5): 1253.48
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.99
ACD/KOC (pH 7.4): 1390.52
Polar Surface Area: 115 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 382.1±7.0 cm3

Click to predict properties on the Chemicalize site


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